2-(7-chloro-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)-N-[(3-methoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-(7-chloro-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)-N-[(3-methoxyphenyl)methyl]acetamide
2-(7-chloro-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)-N-[(3-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | M284-0646 |
| Compound Name: | 2-(7-chloro-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)-N-[(3-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 427.89 |
| Molecular Formula: | C22 H22 Cl N3 O4 |
| Smiles: | COc1cccc(CNC(CN2C(C3CCCN3C(c3cc(ccc23)[Cl])=O)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1294 |
| logD: | 2.1294 |
| logSw: | -3.3333 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.288 |
| InChI Key: | NZAAVKRHLUOYPT-LJQANCHMSA-N |